Basic information
- CAS
110-06-5- Standard SMILES
CC(C)(C)SSC(C)(C)C- InChIKey
BKCNDTDWDGQHSD-UHFFFAOYSA-N- Molecular formula
- C8H18S2
- Average molar mass
- 178.4 g/mol
- Monoisotopic mass
- 178.08499292
Names & identifiers
- Preferred name
- Disulfide, bis(1,1-dimethylethyl)
- IUPAC
- 2-(tert-butyldisulfanyl)-2-methylpropane
- English name
- Di-tert-butyl disulfide
- Molecular formula
- C8H18S2
- Molecular weight
- 178.36
Names & synonyms
110-06-5Di-tert-butyl disulphideTert-butyl disulfideDisulfide, bis(1,1-dimethylethyl)2,2'-dithiobis(2-methylpropane)EINECS 203-734-1AI3-32576RefChem:589792203-734-1InChI=1/C8H18S2/c1-7(2,3)9-10-8(4,5)6/h1-6HDi-tert-butyl disulfide1,2-Di-tert-butyldisulfane
Show more names
(tert-C4H9S)2t-Butyldisulfideterc-Butyldisulfidedi-tert-butylsulfaneDI-TERT-BUTYL DISULDIDEDitert-butyl persulfide
2-(tert-Butyldisulfanyl)-2-methylpropanet-butyl disulfidedi-t-butyl disulfideMFCD000088382,2,5,5-Tetramethyl-3,4-dithiahexaneRTY9CM6498Bis(1,1-dimethylethyl) disulfideNSC-677434
Database identifiers
- CAS
110-06-5- PubChem CID
- 66060
- DTXSID
DTXSID0021913- ChEMBL
CHEMBL121077- UNII
- RTY9CM6498
- EC Number
- 203-734-1
- Nikkaji
- J79.448A
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 50.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 80.8
Experimental & physicochemical properties
SpringerMaterials PropertiesSurface tension
Physicochemical properties
- Melting point
- -5 °C · -5 °C
- Boiling point
- 200 · 200-201 °C(lit.)
- Density
- 0.923 g/mL · 0.923 g/mL at 25 °C(lit.)
- vapor density
- 5 · 5 (vs air)
- vapor pressure
- 51.7 mm · 51.7 mm Hg ( 37.7 °C)
- refractive index
- 20 · n20/D 1.490(lit.)
- Flash point
- 144 °F · 144 °F
- storage temp.
- Inert atmosphere,Room Temperature
- solubility
- Chloroform (Sparingly), Ethanol (Slightly)
- form
- Liquid
- color
- Clear pale yellow to yellow
- Odor Threshold
- 0.0018 ppm · 0.0018ppm
- explosive limit
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H227 (18%): Combustible liquid [Warning Flammable liquids]
P210, P261, P264+P265, P271, P273, P280, P301+P316, P304+P340, P305+P351+P338, P319, P331, P337+P317, P370+P378, P391, P403, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 61 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
Chemical: Disulfide, bis(1,1-dimethylethyl)
Disulfide, bis(1,1-dimethylethyl): Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesFlam. Liq. 4 (18%)
Safety data
- PPE
- Eyeshields, Gloves, multi-purpose combination respirator cartridge (US)
- wgk
- 2
- tsca
- TSCA listed
- ridadr
- UN 3082 9/PG 3
- hs_code
- 29309090
- Toxicity
- LD50 orally in Rabbit: 6200 mg/kg LD50 dermal Rabbit > 2000 mg/kg
- risk_code
- 51/53-43-36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS09
- hazard_code
- N
- safety_code
- 61-37/39-26-24
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationDisulfide, bis(1,1-dimethylethyl): ACTIVE
Applications
DescriptionDi-tert-butyl disulfide is one of the important organic intermediates.It is an important raw material for the synthesis of disulfide bond-containing sulfinyl and oxythio compounds. It can be used as a vulcanizing agent for rubber and elastomers in industry. It is also a monomer for the synthesis of proteins and other biologically active molecules.
UsesDi-tert-butyl disulfide is used in the preparation of gold-supported thin film from symmetrical and mixed disulphide adsorbates. Mechanism of the oxidation of di-tert-butyl disulfide in the presence of H2O2 catalyzed by bis(acetylacetonato)oxovanadium and a chiral Schiff-base ligand has been investigated. Di-tert-butyl disulfide has been used in the preparation of gold-supported thin film from symmetrical and mixed disulphide adsorbates.
UsesDi-tert-Butyl Disulfide is a general reagent used in the synthesis of a novel neuropeptide Y (NPY) Y5 receptor antagonist Velneperit) used in the treatment of obesity.
General DescriptionMechanism of the oxidation of di-tert-butyl disulfide in the presence of H2O2 catalyzed by bis(acetylacetonato)oxovanadium and a chiral Schiff-base ligand has been investigated.
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
6 records
Compound notes
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